3-[3,5-dimethyl-4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid

C13H15N3O3S — CID 167860085

IUPAC3-[3,5-dimethyl-4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid
SMILESCc1nn(CCC(=O)O)c(C)c1NC(=O)c1ccsc1
InChIInChI=1S/C13H15N3O3S/c1-8-12(14-13(19)10-4-6-20-7-10)9(2)16(15-8)5-3-11(17)18/h4,6-7H,3,5H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyQHLQJQYDMKMKNM-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.29
Rot. Bonds5

About 3-[3,5-dimethyl-4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid

3-[3,5-dimethyl-4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid (PubChem CID 167860085) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-[3,5-dimethyl-4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3,5-dimethyl-4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid
PubChem CID167860085
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-[3,5-dimethyl-4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid
SMILESCc1nn(CCC(=O)O)c(C)c1NC(=O)c1ccsc1
InChIInChI=1S/C13H15N3O3S/c1-8-12(14-13(19)10-4-6-20-7-10)9(2)16(15-8)5-3-11(17)18/h4,6-7H,3,5H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyQHLQJQYDMKMKNM-UHFFFAOYSA-N
XLogP2.29
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3,5-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonylamino)pyrazol-1-yl]propanoic acid
CID 154743110
3-[4-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471310
3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491983
4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914762
3-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]propanoic acid
CID 82483431
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
CID 4246879
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-3-carboxamide
CID 31520445
4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656589
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide
CID 21369305
ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate
CID 21369347
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide
CID 21369322
N-(5-bromo-6-methyl-2-pyridinyl)thiophene-3-carboxamide
CID 79048508

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[3,5-dimethyl-4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid (CID 167860085) is 3-[3,5-dimethyl-4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3,5-dimethyl-4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3,5-dimethyl-4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid is Cc1nn(CCC(=O)O)c(C)c1NC(=O)c1ccsc1.
What is the InChIKey of 3-[3,5-dimethyl-4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid?
The InChIKey is QHLQJQYDMKMKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8-12(14-13(19)10-4-6-20-7-10)9(2)16(15-8)5-3-11(17)18/h4,6-7H,3,5H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 3-[3,5-dimethyl-4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid?
3-[3,5-dimethyl-4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid has a molecular weight of 293.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 167860085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).